[4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate

C25H25N3O4 — CID 151831996

IUPAC[4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate
SMILESCC(C)CC(COc1ccc(-c2ccnc3ccccc23)cc1-c1ccno1)OC(N)=O
InChIInChI=1S/C25H25N3O4/c1-16(2)13-18(31-25(26)29)15-30-23-8-7-17(14-21(23)24-10-12-28-32-24)19-9-11-27-22-6-4-3-5-20(19)22/h3-12,14,16,18H,13,15H2,1-2H3,(H2,26,29)
InChIKeySEVUITPYXXGUFB-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.45
Rot. Bonds8

About [4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate

[4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate (PubChem CID 151831996) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is [4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate.

Molecular Properties

Compound Name[4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate
PubChem CID151831996
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name[4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate
SMILESCC(C)CC(COc1ccc(-c2ccnc3ccccc23)cc1-c1ccno1)OC(N)=O
InChIInChI=1S/C25H25N3O4/c1-16(2)13-18(31-25(26)29)15-30-23-8-7-17(14-21(23)24-10-12-28-32-24)19-9-11-27-22-6-4-3-5-20(19)22/h3-12,14,16,18H,13,15H2,1-2H3,(H2,26,29)
InChIKeySEVUITPYXXGUFB-UHFFFAOYSA-N
XLogP5.45
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate with MolForge

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Related Compounds

(2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine
CID 137495407
tert-butyl N-[(2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-yl]carbamate
CID 118429657
4,4-dimethyl-1-[4-quinolin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 142797261
methyl N-[4-[4-(4-methylpentoxy)-3-(1,2-oxazol-5-yl)phenyl]-2-pyridinyl]carbamate
CID 145286473
tert-butyl N-[1-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-yl]carbamate
CID 123459257
4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline
CID 118429692
4-[3-chloro-4-(2,4-dimethylpentoxy)-5-fluorophenyl]quinoline
CID 158009232
[5-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-yl]carbamic acid
CID 118419963
4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline
CID 151386101
[(2S)-1-[4-(2-acetamido-4-pyridinyl)-2-chloro-6-fluorophenoxy]-4-methylpentan-2-yl] carbamate
CID 175071493
1-(2-methyl-4-quinolin-4-ylphenyl)ethanone
CID 142581738
ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate
CID 115960787

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate?
The IUPAC name of [4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate (CID 151831996) is [4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate.
What is the SMILES notation for [4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate?
The canonical SMILES for [4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate is CC(C)CC(COc1ccc(-c2ccnc3ccccc23)cc1-c1ccno1)OC(N)=O.
What is the InChIKey of [4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate?
The InChIKey is SEVUITPYXXGUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-16(2)13-18(31-25(26)29)15-30-23-8-7-17(14-21(23)24-10-12-28-32-24)19-9-11-27-22-6-4-3-5-20(19)22/h3-12,14,16,18H,13,15H2,1-2H3,(H2,26,29).
What are the key properties of [4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate?
[4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate has a molecular weight of 431.49 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate is sourced from PubChem (CID 151831996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).